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CAS 16747-26-5

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2,2,4-Trimethylhexane

Description:
2,2,4-Trimethylhexane is an organic compound classified as an alkane, specifically a branched-chain hydrocarbon. Its molecular formula is C11H24, indicating it consists of 11 carbon atoms and 24 hydrogen atoms. This compound is characterized by its high degree of branching, which contributes to its relatively low boiling point compared to straight-chain alkanes of similar molecular weight. It is a colorless liquid at room temperature and is insoluble in water but soluble in organic solvents. 2,2,4-Trimethylhexane is notable for its use as a reference standard in octane rating tests, as it has a high octane number, making it a valuable component in fuel formulations. Additionally, it exhibits typical alkane properties, such as being non-polar and having low reactivity under standard conditions. Its structure includes three methyl groups attached to a hexane backbone, which influences its physical properties and reactivity. Overall, 2,2,4-trimethylhexane is significant in both industrial applications and research contexts.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3
InChI key:InChIKey=AFTPEBDOGXRMNQ-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)C(CC)C
Synonyms:
  • Hexane, 2,2,4-trimethyl-
  • Trimethylhexane
  • 2,2,4-Trimethylhexane
  • (±)-2,2,4-Trimethylhexane
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